4-hydroxy-3,5-diphenoxybenzaldehyde

C19H14O4 — CID 101190258

IUPAC4-hydroxy-3,5-diphenoxybenzaldehyde
SMILESO=Cc1cc(Oc2ccccc2)c(O)c(Oc2ccccc2)c1
InChIInChI=1S/C19H14O4/c20-13-14-11-17(22-15-7-3-1-4-8-15)19(21)18(12-14)23-16-9-5-2-6-10-16/h1-13,21H
InChIKeySWZQRECHQRAWPU-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.79
Rot. Bonds5

About 4-hydroxy-3,5-diphenoxybenzaldehyde

4-hydroxy-3,5-diphenoxybenzaldehyde (PubChem CID 101190258) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-hydroxy-3,5-diphenoxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3,5-diphenoxybenzaldehyde
PubChem CID101190258
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name4-hydroxy-3,5-diphenoxybenzaldehyde
SMILESO=Cc1cc(Oc2ccccc2)c(O)c(Oc2ccccc2)c1
InChIInChI=1S/C19H14O4/c20-13-14-11-17(22-15-7-3-1-4-8-15)19(21)18(12-14)23-16-9-5-2-6-10-16/h1-13,21H
InChIKeySWZQRECHQRAWPU-UHFFFAOYSA-N
XLogP4.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diphenoxybenzaldehyde?
The IUPAC name of 4-hydroxy-3,5-diphenoxybenzaldehyde (CID 101190258) is 4-hydroxy-3,5-diphenoxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3,5-diphenoxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3,5-diphenoxybenzaldehyde is O=Cc1cc(Oc2ccccc2)c(O)c(Oc2ccccc2)c1.
What is the InChIKey of 4-hydroxy-3,5-diphenoxybenzaldehyde?
The InChIKey is SWZQRECHQRAWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-13-14-11-17(22-15-7-3-1-4-8-15)19(21)18(12-14)23-16-9-5-2-6-10-16/h1-13,21H.
What are the key properties of 4-hydroxy-3,5-diphenoxybenzaldehyde?
4-hydroxy-3,5-diphenoxybenzaldehyde has a molecular weight of 306.32 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diphenoxybenzaldehyde is sourced from PubChem (CID 101190258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).